CID 40427065

1083175-32-9

Structural Information

Molecular Formula
C8H16N2O2
SMILES
C1CNCCC1C[C@@H](C(=O)O)N
InChI
InChI=1S/C8H16N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h6-7,10H,1-5,9H2,(H,11,12)/t7-/m0/s1
InChIKey
VVDNQYDGDFYGMM-ZETCQYMHSA-N
Compound name
(2S)-2-amino-3-piperidin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

172.12119 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 140.4
[M+Na]+ 195.11041 143.1
[M-H]- 171.11391 138.2
[M+NH4]+ 190.15501 156.8
[M+K]+ 211.08435 141.2
[M+H-H2O]+ 155.11845 134.0
[M+HCOO]- 217.11939 155.6
[M+CH3COO]- 231.13504 176.2
[M+Na-2H]- 193.09586 141.9
[M]+ 172.12064 131.5
[M]- 172.12174 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe